SCHEMBL12893277

SCHEMBL12893277

Cc1cc(C2(c3ccc(O)cc3)CCCCC2)ccc1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.62
▸ ESR2 Q92731 4/20 0.62
▸ ACHE P22303 1/20 0.53
▸ LMNA P02545 4/20 0.46
▸ ALOX12 P18054 4/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.43
▸ PPARA Q07869 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HSD11B1 P28845 2/20 0.39
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SLC6A4 P31645 4/20 0.37
▸ SLC6A3 Q01959 4/20 0.37
▸ SLC6A2 P23975 3/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ POLB P06746 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1257461 0.85 ESR1 (0.69) ESR1ESR2ACHELMNAALOX12
SCHEMBL14760430 0.84 ESR1 (0.87) ESR1ESR2ACHELMNAALOX12
SCHEMBL1129752 0.84 ESR1 (0.87) ESR1ESR2ACHELMNAALOX12
SCHEMBL10899114 0.82 ACHE (0.79) ESR1ESR2ACHELMNAALOX12
SCHEMBL10942581 0.82 ACHE (0.79) ESR1ESR2ACHELMNAALOX12
SCHEMBL12893312 0.80 ESR2 (0.40) ESR1ESR2ACHELMNAALOX12
SCHEMBL11154712 0.79 ESR2 (1.00) ESR1ESR2ACHELMNAALOX12
SCHEMBL18773 0.79 ESR2 (1.00) ESR1ESR2ACHELMNAALOX12
SCHEMBL13379654 0.79 ESR2 (1.00) ESR1ESR2ACHELMNAALOX12
SCHEMBL2131572 0.79 ESR2 (1.00) ESR1ESR2ACHELMNAALOX12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822548-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2014-09-02 — — US disclosed
US-20110046237-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2011-02-24 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110046237-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESR2, ESR1, GPER1 ESR1 2/4885ESR2 1/4885ACHE 1943/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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